6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C18H20F3N3OS — CID 166225647

IUPAC6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c(C2CC2)nc2sccn12
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-3-6-17(7-4-16,8-5-16)23-14(25)13-12(11-1-2-11)22-15-24(13)9-10-26-15/h9-11H,1-8H2,(H,23,25)
InChIKeyJLRYCPFGPNCVCU-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.66
Rot. Bonds3

About 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 166225647) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID166225647
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c(C2CC2)nc2sccn12
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-3-6-17(7-4-16,8-5-16)23-14(25)13-12(11-1-2-11)22-15-24(13)9-10-26-15/h9-11H,1-8H2,(H,23,25)
InChIKeyJLRYCPFGPNCVCU-UHFFFAOYSA-N
XLogP4.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 166225647) is 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c(C2CC2)nc2sccn12.
What is the InChIKey of 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is JLRYCPFGPNCVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)16-3-6-17(7-4-16,8-5-16)23-14(25)13-12(11-1-2-11)22-15-24(13)9-10-26-15/h9-11H,1-8H2,(H,23,25).
What are the key properties of 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 166225647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).